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GPCR

NameAlpha-2B adrenergic receptor
SpeciesHomo sapiens (Human)
GeneADRA2B
Synonymalpha2-C2
alpha2B
alpha2B-adrenoceptor
Alpha-2BAR
alpha-2B adrenoreceptor
[ Show all ]
DiseaseNeuropathic pain
Alcohol use disorders
Length450
Amino acid sequenceMDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProtP18089
Protein Data BankN/A
GPCR-HGmod modelP18089
3D structure modelThis predicted structure model is from GPCR-EXP P18089.
BioLiPN/A
Therapeutic Target DatabaseT41580
ChEMBLCHEMBL1942
IUPHAR26
DrugBankBE0000572

Ligand

NameCHEMBL217768
Molecular formulaC24H34N4
IUPAC nameN-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-3-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-4-amine
Molecular weight378.564
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50196143
SCHEMBL6920673
4-(3,4-dimethylpiperazin-1-yl)phenyl]-(3-ethyl-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amine
Inchi KeyAWRXNUNJSQSZSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N4/c1-5-21-18(3)25-23-9-7-6-8-22(23)24(21)26-19-10-12-20(13-11-19)28-15-14-27(4)17(2)16-28/h10-13,17H,5-9,14-16H2,1-4H3,(H,25,26)
PubChem CID16090635
ChEMBLCHEMBL217768
IUPHARN/A
BindingDB50196143
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Kb10500.0 nMPMID17034141ChEMBL
Ki2980.0 nMPMID17034141BindingDB,ChEMBL

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